Hello,
I am writing periodic restarts that are to be read in an upcoming input file. Despite using the default periodic boundary conditions, I am receiving the following error in the read_restart command:
ERROR: Did not assign all restart atoms correctly (…/read_restart.cpp:501)
I have tried different seeds, but each run results in this error and reveals 10 or so atoms unaccounted for (my simulations use 4000 atoms but the read_restart is only finding 3990). However, I am not sure how this is possible, as the read_data doc page explicitly states that atoms are remapped into the simulation box when using the periodic boundary condition. The following text shows the restart command in place:
variable seed index 385769 294729 185922 467254 835467 997869 241564 768447 547354 973656
label loop
velocity all create T {seed} mom yes rot yes dist gaussian
restart 1000 /data/simulations/ES/2015/USIC_1/simulations/configuration/restart/{trial}/configuration_USIC_1_{trial}${seed}*_bulk.modulus
run 1000
next seed
jump /data/simulations/ES/2015/USIC_1/simulations/lammps_inputs/configuration.lammps loop
In the read_restart command of the input file following this one, the log file is showing this:
read_restart /data/simulations/ES/2015/USIC_1/simulations/configuration/restart/000/configuration_USIC_1_000_385769_1000_bulk.modulus
orthogonal box = (-8.28774 -8.28774 -8.28774) to (8.28774 8.28774 8.28774)
1 by 2 by 2 MPI processor grid
3993 atoms
ERROR: Did not assign all restart atoms correctly (…/read_restart.cpp:501)
I am using Lammps-9Dec14. Any input will be much appreciated.